ChemSpider 2D Image | Methyl (2R,3S,5R,9R,11S)-2,9-diacetoxy-3-hydroxy-11-isopropenyl-3-methyl-7-oxo-6,16-dioxatricyclo[11.2.1.1~5,8~]heptadeca-1(15),8(17),13-triene-14-carboxylate | C25H30O10

Methyl (2R,3S,5R,9R,11S)-2,9-diacetoxy-3-hydroxy-11-isopropenyl-3-methyl-7-oxo-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),8(17),13-triene-14-carboxylate

  • Molecular FormulaC25H30O10
  • Average mass490.500 Da
  • Monoisotopic mass490.183899 Da
  • ChemSpider ID44210895

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3S,5R,9R,11S)-2,9-Diacétoxy-3-hydroxy-11-isopropényl-3-méthyl-7-oxo-6,16-dioxatricyclo[11.2.1.15,8]heptadéca-1(15),8(17),13-triène-14-carboxylate de méthyle [French] [ACD/IUPAC Name]
6,16-Dioxatricyclo[11.2.1.15,8]heptadeca-8(17),13,15-triene-14-carboxylic acid, 2,9-bis(acetyloxy)-3-hydroxy-3-methyl-11-(1-methylethenyl)-7-oxo-, methyl ester, (2R,3S,5R,9R,11S)- [ACD/Index Name]
Methyl (2R,3S,5R,9R,11S)-2,9-diacetoxy-3-hydroxy-11-isopropenyl-3-methyl-7-oxo-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),8(17),13-triene-14-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3S,5R,9R,11S)-2,9-diacetoxy-3-hydroxy-11-isopropenyl-3-methyl-7-oxo-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),8(17),13-trien-14-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 648.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.8±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.81
ACD/KOC (pH 5.5): 719.44
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.81
ACD/KOC (pH 7.4): 719.44
Polar Surface Area: 139 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 376.5±5.0 cm3

Click to predict properties on the Chemicalize site


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